Chemical Properties of L-Valine, N-(2,5-difluorobenzoyl)-, pentyl ester

InChI

InChI=1S/C17H23F2NO3/c1-4-5-6-9-23-17(22)15(11(2)3)20-16(21)13-10-12(18)7-8-14(13)19/h7-8,10-11,15H,4-6,9H2,1-3H3,(H,20,21)

InChI Key

LOEGLQBFJLZNDK-UHFFFAOYSA-N

Formula

C17H23F2NO3

SMILES

CCCCCOC(=O)C(NC(=O)c1cc(F)ccc1F)C(C)C

Molecular Weight¹

327.37

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-482.54	kJ/mol	Joback Calculated Property
ΔfH°gas	-887.31	kJ/mol	Joback Calculated Property
ΔfusH°	41.65	kJ/mol	Joback Calculated Property
ΔvapH°	76.96	kJ/mol	Joback Calculated Property
log10WS	-4.98		Crippen Calculated Property
logPoct/wat	3.453		Crippen Calculated Property
McVol	249.160	ml/mol	McGowan Calculated Property
Pc	1598.72	kPa	Joback Calculated Property
Inp	[2097.00; 2097.00]
Inp	2097.00		NIST
Inp	2097.00		NIST
Tboil	802.99	K	Joback Calculated Property
Tc	1000.67	K	Joback Calculated Property
Tfus	478.74	K	Joback Calculated Property
Vc	0.969	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[748.67; 820.60]	J/mol×K	[802.99; 1000.67]
Cp,gas	748.67	J/mol×K	802.99	Joback Calculated Property
Cp,gas	763.02	J/mol×K	835.94	Joback Calculated Property
Cp,gas	776.39	J/mol×K	868.88	Joback Calculated Property
Cp,gas	788.81	J/mol×K	901.83	Joback Calculated Property
Cp,gas	800.30	J/mol×K	934.78	Joback Calculated Property
Cp,gas	810.89	J/mol×K	967.72	Joback Calculated Property
Cp,gas	820.60	J/mol×K	1000.67	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Valine, N-(2,5-difluorobenzoyl)-, pentyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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